⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23578911 | 0.87 | DPP8 (0.31) | — | |
| SCHEMBL14272694 | 0.82 | DPP8 (0.49) | — | |
| SCHEMBL21805916 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL8383202 | 0.80 | — | — | |
| SCHEMBL28539789 | 0.79 | DPP8 (0.40) | — | |
| SCHEMBL27511696 | 0.79 | DPP8 (0.40) | — | |
| SCHEMBL23578692 | 0.79 | PMP22 (0.36) | — | |
| SCHEMBL28435515 | 0.79 | DPP8 (0.40) | — | |
| SCHEMBL17831911 | 0.78 | — | — | |
| SCHEMBL19703682 | 0.78 | CHRNB2 (0.57) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160326125-A1 | SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE | BRISTOL MYERS SQUIBB CO (US) | 2016-11-10 | — | — | US | disclosed |